2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid

C11H12N4O2 — CID 136995525

IUPAC2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]2)nc2n1CCCN2
InChIInChI=1S/C11H12N4O2/c16-10(17)9-8(7-3-1-4-12-7)14-11-13-5-2-6-15(9)11/h1,3-4,12H,2,5-6H2,(H,13,14)(H,16,17)
InChIKeyHCGGTLCHXLFHPF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.39
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid

2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 136995525) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID136995525
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]2)nc2n1CCCN2
InChIInChI=1S/C11H12N4O2/c16-10(17)9-8(7-3-1-4-12-7)14-11-13-5-2-6-15(9)11/h1,3-4,12H,2,5-6H2,(H,13,14)(H,16,17)
InChIKeyHCGGTLCHXLFHPF-UHFFFAOYSA-N
XLogP1.39
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 136995525) is 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(-c2ccc[nH]2)nc2n1CCCN2.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is HCGGTLCHXLFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-10(17)9-8(7-3-1-4-12-7)14-11-13-5-2-6-15(9)11/h1,3-4,12H,2,5-6H2,(H,13,14)(H,16,17).
What are the key properties of 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 136995525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).